(4S)-4-Hydroxy-5-[2-Methyl-4-(3-{3-Methyl-4-[4,4,4-Trifluoro-3-Hydroxy-3-(Trifluoromethyl)-1-Butyn-1-Yl]Phenyl}-3-Pentanyl)Phenoxy]Pentanoic Acid

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Properties Simple | Detailed

Formula C29H32F6O5
IUPAC Name (4s)-5-[4-[1-ethyl-1-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-ynyl]phenyl]propyl]-2-methyl-phenoxy]-4-hydroxy-pentanoic acid
Molecular Mass 574.552 g·mol−1
Heat of Formation -2053.7 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 657.74 Å 3
Surface Area 541.31 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey BMRRFNRRIWOMAT-QHCPKHFHSA-N
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Elements H C O F